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701
Effect of Generalized Uncertainty Principle on Main-Sequence Stars and White Dwarfs
Published 2015-01-01“…This paper addresses the effect of generalized uncertainty principle, emerged from different approaches of quantum gravity within Planck scale, on thermodynamic properties of photon, nonrelativistic ideal gases, and degenerate fermions. …”
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702
Adsorption Studies for Arsenic Removal Using Activated Moringa oleifera
Published 2014-01-01“…Kinetics studies revealed that Langmuir isotherm was followed with a better correlation than the Freundlich isotherm. The thermodynamic parameters such as ΔH, ΔS, and ΔG were computed from the experimental data. …”
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703
Ultrasonic Investigations of Molecular Interaction in Binary Mixtures of Benzyl Benzoate with Acetonitrile and Benzonitrile
Published 2011-01-01“…From the experimental data, thermodynamic parameters like adiabatic compressibility, internal pressure, enthalpy, activation energy etc., were computed and the molecular interactions were predicted based on the variation of excess parameters in the mixture. …”
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704
A simplified hardness model for WC-Co-Cubic cemented carbides
Published 2021-01-01“…With the input of initial composition and grain sizes of carbides, structural parameters needed to predict the hardness can be calculated by thermodynamic calculations and diffusion simulations. …”
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705
A model for electrochemical insertion limited by a phase transition process - eilpt
Published 2003-01-01“…Phase transformations during electrochemical insertion are taken into account, with various values for parameters such as the thermodynamic biphase equilibrium potential, the compared diffusion and phase transformation kinetics, and the electrode thickness. …”
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706
Bénard Problem for Slightly Compressible Fluids: Existence and Nonlinear Stability in 3D
Published 2020-01-01“…The novelty of this model, introduced by Corli and Passerini, 2019, and Passerini and Ruggeri, 2014, consists in allowing the density of the fluid to also depend on the pressure field, which, as shown by Passerini and Ruggeri, 2014, is a necessary request from a thermodynamic viewpoint when dealing with convective problems. …”
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707
Surface Potential of Polycrystalline Hematite in Aqueous Medium
Published 2011-01-01“…The theoretical interpretation of the equilibrium data was performed by applying the surface complexation model and the thermodynamic equilibrium constants for the first and the second step of surface protonation was obtained as logK1∘=11.3;logK2∘=2.8.…”
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708
Tautomerism of 5-Methyl Imidazolidine Thio Derivatives in the Gas Phase: A Density Functional Study
Published 2008-01-01“…The findings conclude that the intramolecular prototropic tautomerisation process is thermodynamically unfavored.…”
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709
Kinetics and Mechanism of Oxidation of Diethanolamine and Triethanolamine by Potassium Ferrate
Published 2011-01-01“…The rate constants of the rate-determining step and the thermodynamic activation parameters are calculated.…”
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710
Investigation of Charge Transfer Complexes Formed between Mirtazapine and Some π-Acceptors
Published 2013-01-01“…The equilibrium constants and thermodynamic parameters of the complexes were determined by the Benesi-Hildebrand and Van't Hoff equations. …”
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711
Optimization of waste heat recovery system for mobile compressor unit for compressing natural gas
Published 2021-12-01“…This paper presents the methodology and results of optimization of the waste heat recovery system (WHRS) of a mobile compressor unit (MCU) designed to compress natural gas using a computer model in the MatLab with the CoolProp thermodynamic package. In the course of the study, a computer model of the WHRS is built, a criterion for the efficiency of recuperation is determined, an optimization problem is formulated and its solution is carried out. …”
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712
Exploring advanced nanostructures and functional materials for efficient hydrogen storage: a theoretical investigation on mechanisms, adsorption process, and future directions
Published 2025-02-01“…Density Functional Theory (DFT) based computations are used to analyze binding energies, thermodynamic stability, and adsorption mechanisms. Ni-decorated C12N12 nanoclusters demonstrate enhanced storage capacities, binding up to eight H2 molecules with a favorable N-(μ-Ni)-N configuration. …”
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713
Sensitivity of Dynamical Downscaling Seasonal Precipitation Forecasts to Convection and Land Surface Parameterization in a High-Resolution Regional Climate Model
Published 2019-01-01“…The WRF model-simulated moisture flux convergence is closer to that of the ERA-5 reanalysis compared with that of the CFSv2 reforecasts in summer. The vertical thermodynamic profiles also suggest that the combination of the KF and Noah schemes has caused a more unstable atmosphere, which is crucial for precipitation. …”
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714
Quantum chemical study of molecular properties of small branched-chain amino acids in water
Published 2025-01-01“…In addition, a set of collective electronic and thermodynamic properties associated with redox process were evaluated: ionization energy, electron affinity, chemical hardness, molecular electronegativity, electrophilicity index, absolute oxidation and reduction potentials. …”
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715
CALPHAD-aided synthesis and characterization of an Al–Co–Cr–Fe–Ni–W high-entropy alloy prepared by arc melting and spark plasma sintering
Published 2025-01-01“…Contrary to the thermodynamic predictions, after equilibration and quenching, the dissolution of the μ phase was observed due to the Gibbs-Thomson effect, which enhanced W solubility in the FCC solid solution. …”
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716
Two-Phase Equilibrium Properties in Charged Topological Dilaton AdS Black Holes
Published 2016-01-01“…The results show that the black holes may go through a small-large phase transition similar to that of a usual nongravity thermodynamic system.…”
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717
A Cosmological Scaling Relation for Describing the Late Time Dynamics
Published 2013-01-01“…Under this hypothesis, the scaling relation is interpreted as a thermodynamic modification able to describe the cosmological dynamics at late times. …”
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718
Effects of Zinc Binding on the Structure and Stability of Glycylglycine Dipeptide: A Computational Study
Published 2012-01-01“…The vibrational frequencies, thermodynamic and electronic properties, HOMO, LUMO, and energy gap for the most stable isomer in different solvents were calculated at the BLYP/6-311++G** level of theory.…”
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719
Preparation of CoFe2O4/SiO2 Nanocomposites at Low Temperatures Using Short Chain Diols
Published 2017-01-01“…The stability of the obtained compounds was determined by calculation of thermodynamic parameters.…”
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720
The three-dimensional N $$ \mathcal{N} $$ = 2 superfishnet theory
Published 2025-01-01“…We use techniques inspired by the integrability of bi-scalar fishnet theory and adapted to superspace to calculate the zero-mode-fixed thermodynamic free energy, the corresponding critical coupling, and the exact all-loop scaling dimensions of various operators. …”
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